Vitas-M small molecule compound
butan-2-yl (2E)-2-cyano-3-[5-(2-nitrophenyl)furan-2-yl]prop-2-enoate
Catalog ID
STK391708
SMILES CCC(OC(=O)/C(=C/c1ccc(o1)c1ccccc1[N+](=O)[O-])/C#N)C
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We supply compounds in quantities from 1 mg up to 5 g for research and development purposes only.
We do not supply quantities above 5 g.
Structure and other identifiers
2D representation rendered from the SMILES, with core physicochemical data.Formula C18H16N2O5 MW 340.34 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H16N2O5/c1-3-12(2)24-18(21)13(11-19)10-14-8-9-17(25-14)15-6-4-5-7-16(15)20(22)23/h4-10,12H,3H2,1-2H3/b13-10+InChIKey
UXJNYVPLBNNEQM-JLHYYAGUSA-NSynonyms
butan2yl(2E)2cyano3(5(2nitrophenyl)furan2yl)prop2enoate
BUTAN2YL(E)2CYANO3(5(2NITROPHENYL)FURAN2YL)PROP2ENOATE
CCC(C)OC(=O)C(=CC1=CC=C(O1)C2=CC=CC=C2(N+)(=O)(O))C#N
CCC(OC(=O)C(=Cc1ccc(o1)c1ccccc1(N+)(=O)(O))C#N)C
InChI=1SC18H16N2O5c1312(2)2418(21)13(1119)10148917(2514)15645716(15)20(22)23h41012H3H212H3b1310+
METHYLPROPYL(2E)2CYANO3(5(2NITROPHENYL)(2FURYL))PROP2ENOATE
MFCD01918482
ZINC000002669694
ZINC000002669696
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